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2- (4-formylphenoxy) acetamide

CAT: 0024-sc-282667Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-282667Size:100 mg
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CAS Number
135857-20-4

Chemical Information

2-(4-Formylphenoxy)acetamide

2-(4-formylphenoxy)acetamide has been reported in Siraitia grosvenorii with data available.

CAS Number135857-20-4
PubChem CID601630
IUPAC Name2-(4-formylphenoxy)acetamide
Molecular FormulaC9H9NO3
Molecular Weight179.17
XLogP0.1
Topological Polar Surface Area69.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity185
SMILES
C1=CC(=CC=C1C=O)OCC(=O)N
InChI
InChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-7(5-11)2-4-8/h1-5H,6H2,(H2,10,12)
InChIKey
FLPJVCMIKUWSDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Formylphenoxy)acetamide
CAS: 135857-20-4
CID: 601630
Formula: C9H9NO3
MW: 179.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.17
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass179.058243149
Monoisotopic Mass179.058243149
Topological Polar Surface Area69.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes